CID 87816

5,12-bis(phenylethynyl)naphthacene

Structural Information

Molecular Formula
C34H20
SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC5=CC=CC=C5C=C42)C#CC6=CC=CC=C6
InChI
InChI=1S/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H
InChIKey
OUHYGBCAEPBUNA-UHFFFAOYSA-N
Compound name
5,12-bis(2-phenylethynyl)tetracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1137
Patents

428.1565 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16378 222.1
[M+Na]+ 451.14572 235.8
[M-H]- 427.14922 225.6
[M+NH4]+ 446.19032 229.0
[M+K]+ 467.11966 215.4
[M+H-H2O]+ 411.15376 204.3
[M+HCOO]- 473.15470 227.6
[M+CH3COO]- 487.17035 224.8
[M+Na-2H]- 449.13117 220.7
[M]+ 428.15595 212.0
[M]- 428.15705 212.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe